CID 69209

Diisopropyl oxalate

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CC(C)OC(=O)C(=O)OC(C)C

InChI

InChI=1S/C8H14O4/c1-5(2)11-7(9)8(10)12-6(3)4/h5-6H,1-4H3

InChIKey

ITHNIFCFNUZYLQ-UHFFFAOYSA-N

Compound name

dipropan-2-yl oxalate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 797
Patents: 174.0892 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.09648	138.0
[M+Na]+	197.07842	146.1
[M+NH4]+	192.12302	143.8
[M+K]+	213.05236	143.9
[M-H]-	173.08192	135.2
[M+Na-2H]-	195.06387	139.1
[M]+	174.08865	137.9
[M]-	174.08975	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe